4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole

C18H14N4S2 — CID 35502313

IUPAC4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
SMILESCc1nc2ccccc2nc1SCc1csc(-c2ccccn2)n1
InChIInChI=1S/C18H14N4S2/c1-12-17(22-15-7-3-2-6-14(15)20-12)23-10-13-11-24-18(21-13)16-8-4-5-9-19-16/h2-9,11H,10H2,1H3
InChIKeyLDZUQXSHDOSJRM-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.75
Rot. Bonds4

About 4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole

4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole (PubChem CID 35502313) has the molecular formula C18H14N4S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
PubChem CID35502313
Molecular FormulaC18H14N4S2
Molecular Weight350.47 g/mol
Exact Mass350.07
IUPAC Name4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
SMILESCc1nc2ccccc2nc1SCc1csc(-c2ccccn2)n1
InChIInChI=1S/C18H14N4S2/c1-12-17(22-15-7-3-2-6-14(15)20-12)23-10-13-11-24-18(21-13)16-8-4-5-9-19-16/h2-9,11H,10H2,1H3
InChIKeyLDZUQXSHDOSJRM-UHFFFAOYSA-N
XLogP4.75
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-phenyl-2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3-thiazole
CID 24618705
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 43299180
N-methyl-N-[4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 47069752
4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 30758253
2-fluoro-4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 79129470
N-[(2-methylpropan-2-yl)oxy]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 82720811
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 63280035
(1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 78950455
2-pyridin-4-yl-5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 30782857
4-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 112815538
4-benzyl-2-pyridin-2-yl-1,3-thiazole
CID 18182490
N,N-dimethyl-2-[5-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 71968180

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole (CID 35502313) is 4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole is Cc1nc2ccccc2nc1SCc1csc(-c2ccccn2)n1.
What is the InChIKey of 4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole?
The InChIKey is LDZUQXSHDOSJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S2/c1-12-17(22-15-7-3-2-6-14(15)20-12)23-10-13-11-24-18(21-13)16-8-4-5-9-19-16/h2-9,11H,10H2,1H3.
What are the key properties of 4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole?
4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole has a molecular weight of 350.47 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 35502313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).